SCHEMBL25307601

SCHEMBL25307601

CCOC(=O)Cn1c(=O)oc2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CBX7 O95931 1/20 0.55
▸ CDYL2 Q8N8U2 1/20 0.55
▸ CDYL Q9Y232 1/20 0.55
▸ CDY1; CDY1B Q9Y6F8 1/20 0.55
▸ TP53 P04637 4/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ PKM P14618 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RECQL P46063 1/20 0.48
▸ HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25865290 0.88 KMO (0.52) CBX7CDYL2CDYLCDY1; CDY1BTP53
SCHEMBL16186527 0.87 L3MBTL1 (0.74) L3MBTL1TP53ALDH1A1PKMMEN1
SCHEMBL25871948 0.86 L3MBTL1 (0.60) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL20472305 0.84 CBX7 (0.54) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL30660243 0.84 CBX7 (0.54) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL13099996 0.84 CDYL2 (0.64) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL16932296 0.82 CBX7 (0.60) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL30538038 0.82 CBX7 (0.60) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL16188965 0.81 KMO (0.60) L3MBTL1TP53ALDH1A1PKMMEN1
SCHEMBL10444126 0.81 ALDH1A1 (0.64) L3MBTL1ALDH1A1MEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
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